3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid

C7H10N2O2S — CID 117215864

IUPAC3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid
SMILESCCNCc1cc(C(=O)O)sn1
InChIInChI=1S/C7H10N2O2S/c1-2-8-4-5-3-6(7(10)11)12-9-5/h3,8H,2,4H2,1H3,(H,10,11)
InChIKeyXZLNZCPNLOVYPI-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.95
Rot. Bonds4

About 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid

3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215864) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215864
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid
SMILESCCNCc1cc(C(=O)O)sn1
InChIInChI=1S/C7H10N2O2S/c1-2-8-4-5-3-6(7(10)11)12-9-5/h3,8H,2,4H2,1H3,(H,10,11)
InChIKeyXZLNZCPNLOVYPI-UHFFFAOYSA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(aminomethyl)-1,2-thiazole-5-carboxylate
CID 131543221
3-Methyl-1,2-thiazole-5-carboxylate;triethylazanium
CID 139604222
3-Methyl-1,2-thiazole-5-carboxylic acid;propan-2-amine
CID 173358481
3-(Cyclohexylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 174867642
3-(Aminomethyl)-1,2-thiazole-5-carboxylic acid
CID 83480080
3-(Cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215208
3-(Cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215209
3-(Cyclopentylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215210
3-(Methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215212
3-(Dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215213
3-(Pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215214
3-(Piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215215

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid (CID 117215864) is 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid is CCNCc1cc(C(=O)O)sn1.
What is the InChIKey of 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is XZLNZCPNLOVYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-8-4-5-3-6(7(10)11)12-9-5/h3,8H,2,4H2,1H3,(H,10,11).
What are the key properties of 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid?
3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).